2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C20H14BrCl3N2O — CID 168853809

IUPAC2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1Br)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H14BrCl3N2O/c21-18-8-15(22)5-6-17(18)20(27)26(11-13-2-1-7-25-10-13)12-14-3-4-16(23)9-19(14)24/h1-10H,11-12H2
InChIKeyGTXXNCJDQCNURX-UHFFFAOYSA-N
MW484.61 g/mol
LogP6.65
Rot. Bonds5

About 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853809) has the molecular formula C20H14BrCl3N2O and a molecular weight of 484.61 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853809
Molecular FormulaC20H14BrCl3N2O
Molecular Weight484.61 g/mol
Exact Mass481.94
IUPAC Name2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1Br)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H14BrCl3N2O/c21-18-8-15(22)5-6-17(18)20(27)26(11-13-2-1-7-25-10-13)12-14-3-4-16(23)9-19(14)24/h1-10H,11-12H2
InChIKeyGTXXNCJDQCNURX-UHFFFAOYSA-N
XLogP6.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.61
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
3-bromo-N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853687
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78811624
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
CID 168853730
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62052399
2-bromo-5-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78816281
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 168853809) is 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1Br)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GTXXNCJDQCNURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrCl3N2O/c21-18-8-15(22)5-6-17(18)20(27)26(11-13-2-1-7-25-10-13)12-14-3-4-16(23)9-19(14)24/h1-10H,11-12H2.
What are the key properties of 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 484.61 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).